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Ish: Identification of <scp>mitogen‐activated</scp> protein kinase 7 inhibitors from natural products: Combined virtual screening and dynamic simulation studies

  1. SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

    Antoine Daina, Olivier Michielin, Vincent Zoete

    MaqolaOchiq kirish201731 iqtibos
    ABI

  2. The Protein Data Bank

    Helen M. Berman

    MaqolaOchiq kirish200020 iqtibos
    ABI

  3. Free-energy landscape, principal component analysis, and structural clustering to identify representative conformations from molecular dynamics simulations: The myoglobin case

    Elena Papaleo, Paolo Mereghetti, Piercarlo Fantucci +2

    Maqola20096 iqtibos
    ABI

  4. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

    Sander Pronk, Szilárd Páll, Roland Schulz +9

    MaqolaOchiq kirish20134 iqtibos
    ABI

  5. Hydrogen Bonds in Proteins: Role and Strength

    Roderick E. Hubbard, Muhammad Kamran Haider

    Boshqa20104 iqtibos
    ABI

  6. Radius of gyration as an indicator of protein structure compactness

    M. Yu. Lobanov, Natalya S. Bogatyreva, Oxana V. Galzitskaya

    Maqola20084 iqtibos
    ABI

  7. Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

    Ahmad Abu Turab Naqvi, Taj Mohammad, Gulam Mustafa Hasan +1

    Maqola20184 iqtibos
    ABI

  8. Virtual Screening Approach to Identify High-Affinity Inhibitors of Serum and Glucocorticoid-Regulated Kinase 1 among Bioactive Natural Products: Combined Molecular Docking and Simulation Studies

    Taj Mohammad, Shiza Siddiqui, Anas Shamsi +5

    MaqolaOchiq kirish20204 iqtibos
    ABI

  9. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening

    Taj Mohammad, Yash Mathur, Md. Imtaiyaz Hassan

    Maqola20204 iqtibos
    ABI

  10. PASS: prediction of activity spectra for biologically active substances

    Alexey A. Lagunin, Alla Stepanchikova, Dmitrii Filimonov +1

    Maqola20004 iqtibos
    ABI

  11. Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

    Taj Mohammad, Faez Iqbal Khan, Kevin A. Lobb +3

    Maqola20184 iqtibos
    ABI

  12. ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties

    Guo‐Li Xiong, Zhenhua Wu, Jiacai Yi +10

    MaqolaOchiq kirish20214 iqtibos
    ABI

  13. PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules

    Daan M. F. van Aalten, R. P. Bywater, J. B. C. Findlay +3

    Maqola19963 iqtibos
    ABI

  14. Principal Component Analysis for Protein Folding Dynamics

    Gia G. Maisuradze, Adam Liwo, Harold A. Scheraga

    MaqolaOchiq kirish20083 iqtibos
    ABI

  15. Drug-like properties and the causes of poor solubility and poor permeability

    Christopher A. Lipinski

    Sharh maqola20003 iqtibos
    ABI

  16. Investigation of inhibitory potential of quercetin to the pyruvate dehydrogenase kinase 3: Towards implications in anticancer therapy

    Rashmi Dahiya, Taj Mohammad, Sonam Roy +8

    Maqola20193 iqtibos
    ABI

  17. Impact of Gln94Glu mutation on the structure and function of protection of telomere 1, a cause of cutaneous familial melanoma

    Mohd. Amir, Shahnawaz Ahmad, Shahzaib Ahamad +9

    Maqola20193 iqtibos
    ABI

  18. Principal Component Analysis: A Method for Determining the Essential Dynamics of Proteins

    Charles David, Donald J. Jacobs

    Maqola20133 iqtibos
    ABI

  19. The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

    Samuel Genheden, Ulf Ryde

    Sharh maqola20153 iqtibos
    ABI

  20. Feeling Nature’s PAINS: Natural Products, Natural Product Drugs, and Pan Assay Interference Compounds (PAINS)

    Jonathan B. Baell

    Sharh maqola20162 iqtibos
    ABI

  21. ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

    John J. Irwin, Brian K. Shoichet

    MaqolaOchiq kirish20042 iqtibos
    ABI

  22. Investigation of molecular mechanism of recognition between citral and MARK4: A newer therapeutic approach to attenuate cancer cell progression

    Farha Naz, Faez Iqbal Khan, Taj Mohammad +8

    Maqola20172 iqtibos
    ABI

  23. Molecular Dynamics:  Survey of Methods for Simulating the Activity of Proteins

    Stewart A. Adcock, J. Andrew McCammon

    Sharh maqola20062 iqtibos
    ABI

  24. What is principal component analysis?

    Markus Ringnér

    Maqola20082 iqtibos
    ABI

  25. The Protein Kinase Complement of the Human Genome

    Gerard Manning, D B Whyte, Robert A. Martinez +2

    Sharh maqola20022 iqtibos
    ABI